Otsuka, M.’s team published research in CrystEngComm in 17 | CAS: 111011-76-8

CrystEngComm published new progress about 111011-76-8. 111011-76-8 belongs to alcohols-buliding-blocks, auxiliary class Membrane Transporter/Ion Channel,Calcium Channel, name is 2-(Benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate ethanol hydrochloride, and the molecular formula is C36H45ClN3O8P, HPLC of Formula: 111011-76-8.

Otsuka, M. published the artcileDevelopmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate, HPLC of Formula: 111011-76-8, the publication is CrystEngComm (2015), 17(38), 7430-7436, database is CAplus.

Efonidipine hydrochloride ethanolate (NZ-105) is a novel 1,4-dihydropyridine derivative and Ca antagonist. Its chem. structure is distinctive, being a solvate composed of an equimolar adduct of ethanol and efonidipine hydrochloride, and it represents one of a few cases of solvates marketed as a pharmaceutical drug. The research presented in this paper used methods to assess its solid-state properties and included thermal anal. (thermogravimetry-DTA, TG-DTA), Fourier transform IR spectroscopy (FT/IR), evolved gas anal.-mass spectrometry (EGA-MS), environmental (low-vacuum) SEM (E-SEM), variable temperature powder X-ray diffraction, and single-crystal X-ray structure anal., in order to clarify the thermal behavior of the hydrogen chloride and ethanol adducts of efonidipine in the study of the thermal stability of efonidipine hydrochloride ethanolate. Upon heating, efonidipine hydrochloride ethanolate first released ethanol and subsequently formed a decomposition product with the elimination of chloride ions. X-ray diffraction patterns and particulate forms were markedly altered after the release of ethanol, which suggested the interaction of ethanol mols. with chloride ions and efonidipine mols. within the crystal structure. Vastly different from efonidipine, the crystal structure of efonidipine hydrochloride ethanolate arranges the chloride ion within a basket-type conformation formed by the bulky di-Ph and phosphate groups. This distinctive crystal structure was thought to suppress the elimination of chloride ions and contribute significantly to the improved thermal stability of the compound

CrystEngComm published new progress about 111011-76-8. 111011-76-8 belongs to alcohols-buliding-blocks, auxiliary class Membrane Transporter/Ion Channel,Calcium Channel, name is 2-(Benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate ethanol hydrochloride, and the molecular formula is C36H45ClN3O8P, HPLC of Formula: 111011-76-8.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts